Formula |
C8H9BClN5O4S |
IUPAC Name |
[[3-chloro-4-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonylamino]methylboronic acid |
Molecular Mass |
317.517 g·mol−1 |
Heat of Formation |
-554.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.94 ± 1.08 D |
Volume |
319.65 Å 3 |
Surface Area |
292.6 Å 2 |
HOMO Energy |
-10.14 ± 0.55 eV |
LUMO Energy |
-1.96 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PFJLILKXTJECEF-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
C
B
Cl
H
O
N
S
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